N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide

C16H14ClN5O2 — CID 50777011

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1
InChIInChI=1S/C16H14ClN5O2/c1-11-2-5-13(6-3-11)24-9-16(23)19-15-8-12(4-7-14(15)17)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyCGICFPDWNPEOHW-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.64
Rot. Bonds5

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 50777011) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID50777011
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1
InChIInChI=1S/C16H14ClN5O2/c1-11-2-5-13(6-3-11)24-9-16(23)19-15-8-12(4-7-14(15)17)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23)
InChIKeyCGICFPDWNPEOHW-UHFFFAOYSA-N
XLogP2.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1139897
N-(2,3-dichlorophenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1135809
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
CID 60581267
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetamide
CID 126821700
N-(4-propan-2-ylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709032
N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768398
N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709037

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide (CID 50777011) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is CGICFPDWNPEOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-11-2-5-13(6-3-11)24-9-16(23)19-15-8-12(4-7-14(15)17)22-10-18-20-21-22/h2-8,10H,9H2,1H3,(H,19,23).
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 343.77 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 50777011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).